(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H14N2O3S3 MolecularWeight: 402.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)NC1=O

InChI

InChI=1S/C18H14N2O3S3/c21-16-4-6-25-15-2-1-11(7-14(15)20-16)18(22)23-8-13-10-26-17(19-13)12-3-5-24-9-12/h1-3,5,7,9-10H,4,6,8H2,(H,20,21)